CHEBI:28744 - 2-hydroxy-17β-estradiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hydroxy-17β-estradiol
ChEBI ASCII Name 2-hydroxy-17beta-estradiol
Definition A 2-hydroxy steroid that consists of 17β-estradiol having an additional hydroxy group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42267, CHEBI:1155, CHEBI:19637
Supplier Information
Download Molfile XML SDF
Formula C18H24O3
Net Charge 0
Average Mass 288.38136
Monoisotopic Mass 288.173
InChI InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
SMILES [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(O)cc21
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application(s): prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-hydroxy-17β-estradiol (CHEBI:28744) has functional parent 17β-estradiol (CHEBI:16469)
2-hydroxy-17β-estradiol (CHEBI:28744) has role carcinogenic agent (CHEBI:50903)
2-hydroxy-17β-estradiol (CHEBI:28744) has role human metabolite (CHEBI:77746)
2-hydroxy-17β-estradiol (CHEBI:28744) has role metabolite (CHEBI:25212)
2-hydroxy-17β-estradiol (CHEBI:28744) has role mouse metabolite (CHEBI:75771)
2-hydroxy-17β-estradiol (CHEBI:28744) has role prodrug (CHEBI:50266)
2-hydroxy-17β-estradiol (CHEBI:28744) is a 17β-hydroxy steroid (CHEBI:35343)
2-hydroxy-17β-estradiol (CHEBI:28744) is a 2-hydroxy steroid (CHEBI:36857)
Incoming 2-hydroxy-17β-estradiol 2-O-(β-D-glucuronide) (CHEBI:137907) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744)
2-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137837) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744)
2-hydroxy-17β-estradiol 3-sulfate (CHEBI:136585) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744)
2-hydroxy-17β-estradiol 3-sulfate(1−) (CHEBI:133942) has functional parent 2-hydroxy-17β-estradiol (CHEBI:28744)
Synonyms Sources
(17β)-estra-1,3,5(10)-triene-2,3,17-triol ChemIDplus
2-hydroxy-17β-estradiol UniProt
2-Hydroxyestradiol-17beta KEGG COMPOUND
2-Hydroxyestradiol-17beta KEGG COMPOUND
2-OH-E2 ChemIDplus
2-OH-estradiol ChemIDplus
Manual Xrefs Databases
DB07706 DrugBank
View more database links
Registry Numbers Types Sources
2219367 Beilstein Registry Number ChemIDplus
2219367 Reaxys Registry Number Reaxys
362-05-0 CAS Registry Number KEGG COMPOUND
362-05-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11812141 PubMed citation Europe PMC
14563383 PubMed citation Europe PMC
14872091 PubMed citation Europe PMC
15662657 PubMed citation Europe PMC
16404153 PubMed citation Europe PMC
16421288 PubMed citation Europe PMC
16788039 PubMed citation Europe PMC
Last Modified
17 July 2017